N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

C13H23N3O2 — CID 113491491

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCOCCOCCNc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)12-9-11(3)15-13(16-12)14-5-6-18-8-7-17-4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyQVWHUBUAJIQGFJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.98
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 113491491) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID113491491
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCOCCOCCNc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-10(2)12-9-11(3)15-13(16-12)14-5-6-18-8-7-17-4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyQVWHUBUAJIQGFJ-UHFFFAOYSA-N
XLogP1.98
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113491499
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 113491544
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509
2,2-dimethyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pentane-1,5-diamine
CID 106142913
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 113491491) is N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is COCCOCCNc1nc(C)cc(C(C)C)n1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is QVWHUBUAJIQGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)12-9-11(3)15-13(16-12)14-5-6-18-8-7-17-4/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 113491491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).